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1. Exploiting Node Content for Multiview Graph Convolutional Network and Adversarial Regularization

   https://doi.org/10.18653/v1/2020.coling-main.47  

   Lu, Qiuhao ; de Silva, Nisansa ; Dou, Dejing ; Nguyen, Thien Huu ; Sen, Prithviraj ; Reinwald, Berthold ; Li, Yunyao ( December 2020 , Proceedings of the 28th International Conference on Computational Linguistics)

   null (Ed.)

   Network representation learning (NRL) is crucial in the area of graph learning. Recently, graph autoencoders and its variants have gained much attention and popularity among various types of node embedding approaches. Most existing graph autoencoder-based methods aim to minimize the reconstruction errors of the input network while not explicitly considering the semantic relatedness between nodes. In this paper, we propose a novel network embedding method which models the consistency across different views of networks. More specifically, we create a second view from the input network which captures the relation between nodes based on node content and enforce the latent representations from the two views to be consistent by incorporating a multiview adversarial regularization module. The experimental studies on benchmark datasets prove the effectiveness of this method, and demonstrate that our method compares favorably with the state-of-the-art algorithms on challenging tasks such as link prediction and node clustering. We also evaluate our method on a real-world application, i.e., 30-day unplanned ICU readmission prediction, and achieve promising results compared with several baseline methods. 

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2. Learning Signed Network Embedding via Graph Attention

   https://doi.org/10.1609/aaai.v34i04.5911  

   Li, Yu ; Tian, Yuan ; Zhang, Jiawei ; Chang, Yi ( June 2020 , Proceedings of the AAAI Conference on Artificial Intelligence)

   null (Ed.)

   Learning the low-dimensional representations of graphs (i.e., network embedding) plays a critical role in network analysis and facilitates many downstream tasks. Recently graph convolutional networks (GCNs) have revolutionized the field of network embedding, and led to state-of-the-art performance in network analysis tasks such as link prediction and node classification. Nevertheless, most of the existing GCN-based network embedding methods are proposed for unsigned networks. However, in the real world, some of the networks are signed, where the links are annotated with different polarities, e.g., positive vs. negative. Since negative links may have different properties from the positive ones and can also significantly affect the quality of network embedding. Thus in this paper, we propose a novel network embedding framework SNEA to learn Signed Network Embedding via graph Attention. In particular, we propose a masked self-attentional layer, which leverages self-attention mechanism to estimate the importance coefficient for pair of nodes connected by different type of links during the embedding aggregation process. Then SNEA utilizes the masked self-attentional layers to aggregate more important information from neighboring nodes to generate the node embeddings based on balance theory. Experimental results demonstrate the effectiveness of the proposed framework through signed link prediction task on several real-world signed network datasets. 

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3. Subgraph Neural Networks

   Alsentzer, Emily ; Finlayson, Samuel ; Li, Michelle ; Zitnik, Marinka ( January 2020 , Advances in neural information processing systems)

   null (Ed.)

   Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect subgraphs, rendering subgraph prediction tasks challenging to tackle in many impactful applications. Further, subgraph prediction tasks present several unique challenges: subgraphs can have non-trivial internal topology, but also carry a notion of position and external connectivity information relative to the underlying graph in which they exist. Here, we introduce SubGNN, a subgraph neural network to learn disentangled subgraph representations. We propose a novel subgraph routing mechanism that propagates neural messages between the subgraph's components and randomly sampled anchor patches from the underlying graph, yielding highly accurate subgraph representations. SubGNN specifies three channels, each designed to capture a distinct aspect of subgraph topology, and we provide empirical evidence that the channels encode their intended properties. We design a series of new synthetic and real-world subgraph datasets. Empirical results for subgraph classification on eight datasets show that SubGNN achieves considerable performance gains, outperforming strong baseline methods, including node-level and graph-level GNNs, by 19.8% over the strongest baseline. SubGNN performs exceptionally well on challenging biomedical datasets where subgraphs have complex topology and even comprise multiple disconnected components. 

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4. HDMI: High-order Deep Multiplex Infomax

   Baoyu Jing, Chanyoung Park ( April 2021 , TheWebConf)

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   Networks have been widely used to represent the relations between objects such as academic networks and social networks, and learning embedding for networks has thus garnered plenty of research attention. Self-supervised network representation learning aims at extracting node embedding without external supervision. Recently, maximizing the mutual information between the local node embedding and the global summary (e.g. Deep Graph Infomax, or DGI for short) has shown promising results on many downstream tasks such as node classification. However, there are two major limitations of DGI. Firstly, DGI merely considers the extrinsic supervision signal (i.e., the mutual information between node embedding and global summary) while ignores the intrinsic signal (i.e., the mutual dependence between node embedding and node attributes). Secondly, nodes in a real-world network are usually connected by multiple edges with different relations, while DGI does not fully explore the various relations among nodes. To address the above-mentioned problems, we propose a novel framework, called High-order Deep Multiplex Infomax (HDMI), for learning node embedding on multiplex networks in a self-supervised way. To be more specific, we first design a joint supervision signal containing both extrinsic and intrinsic mutual information by high-order mutual information, and we propose a High- order Deep Infomax (HDI) to optimize the proposed supervision signal. Then we propose an attention based fusion module to combine node embedding from different layers of the multiplex network. Finally, we evaluate the proposed HDMI on various downstream tasks such as unsupervised clustering and supervised classification. The experimental results show that HDMI achieves state-of-the-art performance on these tasks. 

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5. NeoDTI: neural integration of neighbor information from a heterogeneous network for discovering new drug–target interactions

   https://doi.org/10.1093/bioinformatics/bty543  

   Wan, Fangping ; Hong, Lixiang ; Xiao, An ; Jiang, Tao ; Zeng, Jianyang ; Wren, ed., Jonathan ( July 2018 , Bioinformatics)

   Accurately predicting drug–target interactions (DTIs) in silico can guide the drug discovery process and thus facilitate drug development. Computational approaches for DTI prediction that adopt the systems biology perspective generally exploit the rationale that the properties of drugs and targets can be characterized by their functional roles in biological networks.

   Inspired by recent advance of information passing and aggregation techniques that generalize the convolution neural networks to mine large-scale graph data and greatly improve the performance of many network-related prediction tasks, we develop a new nonlinear end-to-end learning model, called NeoDTI, that integrates diverse information from heterogeneous network data and automatically learns topology-preserving representations of drugs and targets to facilitate DTI prediction. The substantial prediction performance improvement over other state-of-the-art DTI prediction methods as well as several novel predicted DTIs with evidence supports from previous studies have demonstrated the superior predictive power of NeoDTI. In addition, NeoDTI is robust against a wide range of choices of hyperparameters and is ready to integrate more drug and target related information (e.g. compound–protein binding affinity data). All these results suggest that NeoDTI can offer a powerful and robust tool for drug development and drug repositioning.

   The source code and data used in NeoDTI are available at: https://github.com/FangpingWan/NeoDTI.

   Supplementary data are available at Bioinformatics online.

    

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